Reply To: Creating a vector1 of AtomID objects

Member Site › Forums › PyRosetta › PyRosetta – General › Creating a vector1 of AtomID objects › Reply To: Creating a vector1 of AtomID objects

July 18, 2011 at 6:55 pm #5865
Anonymous

    Thanks.

    When I use the method pose.conformation().set_xyz(AtomID(),xyzVector) on 10,000 atoms, it takes about 60seconds. There are a few other method calls besides setting the internal and xyz coordinates. So, I am trying to use .batch_set_xyz() and that requires two vector1’s.

    Since that isn’t working right now, I will try and set the external and internal coords manually. Hopefuly that doesn’t break anything.